4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine

C12H13N3S — CID 155910854

IUPAC4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine
SMILESc1cc(-c2nccn2C2CCSC2)ccn1
InChIInChI=1S/C12H13N3S/c1-4-13-5-2-10(1)12-14-6-7-15(12)11-3-8-16-9-11/h1-2,4-7,11H,3,8-9H2
InChIKeyRBCBPGQKERZCQT-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.62
Rot. Bonds2

About 4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine

4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine (PubChem CID 155910854) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine
PubChem CID155910854
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine
SMILESc1cc(-c2nccn2C2CCSC2)ccn1
InChIInChI=1S/C12H13N3S/c1-4-13-5-2-10(1)12-14-6-7-15(12)11-3-8-16-9-11/h1-2,4-7,11H,3,8-9H2
InChIKeyRBCBPGQKERZCQT-UHFFFAOYSA-N
XLogP2.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole
CID 56907677
1-(thiolan-3-yl)imidazole-2-carboxylic acid
CID 84733611
1-(thiolan-3-yl)imidazole-2-sulfonyl chloride
CID 84737840
N-propyl-1-(thiolan-3-yl)imidazol-2-amine
CID 106583171
2-bromo-1-(thian-3-yl)imidazole
CID 84737479
N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583170
4-[2-(4-bromophenyl)imidazol-1-yl]piperidine
CID 82559669
4-[[4-[2-(4-methylsulfanylphenyl)imidazol-1-yl]piperidin-1-yl]methyl]pyridine
CID 56863611
N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583133
2,5-dimethyl-1-(thiolan-3-yl)pyrrole
CID 103064400
1-(1-ethylpyrrolidin-3-yl)-2-(4-imidazol-1-ylphenyl)imidazole
CID 154820358
4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
CID 155912859

Frequently Asked Questions

What is the IUPAC name of 4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine?
The IUPAC name of 4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine (CID 155910854) is 4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine.
What is the SMILES notation for 4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine?
The canonical SMILES for 4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine is c1cc(-c2nccn2C2CCSC2)ccn1.
What is the InChIKey of 4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine?
The InChIKey is RBCBPGQKERZCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-4-13-5-2-10(1)12-14-6-7-15(12)11-3-8-16-9-11/h1-2,4-7,11H,3,8-9H2.
What are the key properties of 4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine?
4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine has a molecular weight of 231.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine is sourced from PubChem (CID 155910854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).